amzzEa . o(Cooc)cco 

cHoM . 2-BUTOXYETHANOL 

 c6o1402 

moL Wz . 118.18 

_____________ 

rh'oioal ezopecty zopote. 

son oow (ootanoz-mater). 

uoizins ooint (ues c) . 

meltioe eoiot <ueg c> . 

vapoz preaeur ( ) ' 

mater oozuuilitv (me/s). 

oeozr Lc (atm-ma/moze) . 

--- oez onnmARY (m.uo) 

0.83 ' 

168.40 

-ra.00 

0.88 

1E+ous 

z.oE-000 

xonnzN nzoyzam (vu.or) aeauzte. 

Expezimentaz oatabaae atzuotore Match. 

Name . 2-BUTOXYETHANOL 

cua mnm . 000111-76-2 

Ezn sos e. 0.83 

amzcmo . o(cccc)cco 

coEm . 2-BUTOXYETHANOL 

 FOR. c6o14 ou 

moz nr . 118.18 ___-+__'+______________________+____'+- ___ 

zreE I mnm I L000zW oamzmaNr oEacozozzom I comFn I nALUo -___+_-_+__________-______-__-__-+____-+____ 

Fr=g z -ros [azinhatic oaruou] 0.5473 0.5473 

Frag s -caz [alinhatio cazboo] 0.4911 2.4555 

Fras z -oo [uruzozy' aziguatio attaou] -z.*uoo 1 -1.4086 

aras | z | o- [ozvsen, azinuatio attaou] 1-1.2566 | -z.osso 

conat Egoatioo couotant 0.2290 

-'----+ -+--- ---- ------ ------ --'---- ---+ - ---- +' - ---- 

zoe oop 0.5666 

mroovo (u.«s) urogram uepozts. 

napezimentaz oatabaoe atzuctnze Match. 

mame . 2-BUTOXYETRANOL 

 mum . nnozzz-rs-z 

oog mP (ues c). -m.o 

EXp oe (d=g c). 168.4 

ozp nn (mm og). n.00m-oz 

(pa ). z.zrE+ooz 

mxp vp (das c). os 

Esp ne rec . oom CeomzcAs comsman/ (zsyn) 

oazLEo . o(cccc)cco 

comm . 2-BUTOXYETHANOL 

woL noa. cs ozo oo 

nos wz . 118.18 

- - ----- ----- - ocMnAnr moaVe v1.43 - ---- ---- 

Boizioy ooiot. zoz.z« ueg c (uuapteo atoin anu arowo Methou) 

mezting eoint. -so.rs ues c (uuanted zobaok methou) 

meztiog ooiot. -r.00 ues c <oozu aou osze aetuod> 

ueao mazt rt . -oo.az ues c (aouack / oolu' ogze methouo) 

eezeoted me. -20.31 ueg c (meao Vazue) 

vagor ereaoore matimatiooe (zs uog c). 

<neing an. 168.40 des c <ooez eotereu>> 

(mn not oae« zor limziuo) 

nn. 0.527 mm us <Antoioe Methou> 

. 70.3 ua (Antoine methou) 

ve. 0.423 mm os (mouifieo oraio methou) 

. so.« ea (modifisu ocain methou) 

vn. 2.33 mm ae (maokar metunu) 

. szo oa (mackay methou) 

1 
aezecteu no. 0.475 mm Hs (Meao oc Az oine a oraio methouo) 

. os.s ua (meao or Antoioe & Gzain msthoua) 

___-+__-+______—___+_____+____- 

r?eE I mnM I aozL oEncaznczom I coEFF nAznm 

___-+__-+__________+_____+___-^- 

ozouo z -cos 21.98 21.98 

ozcmg s -con- 24.22 121.10 

nroun | z | - o - (nonrioe) | 25.16 | 25.16 

oroun | z -oa (grimazy) au.*s 88.46 

° | ~ Enuation conntaot 198.18 

RESULT-uncorr i BozLzNG nozmr in ueg ouzvin us«.aa 

auonLT- oocz I aozczNo oozmr in ues x=lvin *54.30 

| aozLzNo oozmz in dee c 1 ---------- -- -------------------- 

181.14 

-- - - - ------- 

- -+-----+---------- - ' '+- -- -----+--------- 

rYPE I mM I MELT oEocazPTzmx I cOEnF I VALUE 

- --- '+- -+--- - - --'---------+------ - -+- 

Gronn z 'coa -s.zo -s.zo 

orcop s -cHo 11.27 56.35 

oroop | z | - o - (000riog) | 22.23 | 22.23 

oroop z -oo (ozimazr) 4 ~4.45 44.45 

° | ~ Enuation conatant 122.50 

aEucLr mozTzmo Pozmr iu ues oezrio 240.43 

| -MmLzzNu oozNT 

- - - -------------'------- 

io uee C 1 - - - 

oo.rs 

- - - ----------- 

nopecimentaz nater eolobizity oatabaoe match. 

Name . 2-BUTOXYETHANOL 

 oun . 000111-76-2 

oro wooz . zn+noo ms/L <xu uee c> 

auzzna . o(occc)cco 

coEm . o 

MOLmOR. cs H14 oc 

Mon wr . 118.18 

----------------- Wanom v1.41 Reouzte ------------ 

Log x»w (eotimateu) . 0.57 . 

Los Kow <exparimentaz>. 0.83 

cao mo. 000zzz-ro-x 

mame . n - 

a=fer . oAo cH ' c Er AL. <zsos> 

Log oow oaeu ur matez ooznbizity eotimatae. 0.83 (ooer eotezeu) 

Emzatioo Uoeu to Make nater aol eotimate. 

Los a (uoz/L) = o.s»s-o.ys zos now-o.uooc(zm-os) o.uoaz4 wn + oozzaotioo 

m=zting Pt (Tm) = -ru.00 ues c (noe zm = os foz azz zimzida) 

cozzeotioo(a). Vazue 

------ - 

Azonhnz ' alinhatic 0.424 

Los Water uozubizity (io mozeo/L) . o.usz 

nater aozobizitr at os uas o (mg/L). 1.051e+005 

wuTEumr Pkosram (,1.01) meaozta. 

2 
mzpezimentaz watez aozcbility oatabaao matoh. 

mame . 2-BUTOXYETHANOL 

 mum . 000111'76-2 

Ezp naoz . zE+oos mg/L (20 uey c) 

amzLEo . o(cccc)cco 

cHmm . 2-BUTOXYETHANOL 

 FoR. ca ozu oz 

MoL mz . 118.18 

___-+__-+______________________+_____+___-- 

rreE I moM I nArsR SozUazazTr oRu:mEmr oEaoazurzmx I coEFe I nALnE 

___-+__-+______________________+_____+____- 

nras z -coa [aliphatic carbon] -n.sozs 1 -o.azzs 

mzay s -cox- [aziouatic cazbon] -0.5370 1 -c.00sz 

mrae z oe [h,urony, aziphatio attacu] 1.6012 1.6012 

Frag | z | o- [pxvgoo' azipuatio attaoh] | z.ov«e | 1.2746 

cooat Ennation c000tant 0.2492 

--- +-----+ ----- ------ ------ ---+---- +------- 

Loy mater ooz (mozea/L) at us ueo c = 0.1187 

natez aoznuilitr <ms/L> at 25 uec c =1.5532e+005 

mooaAR orosram (vu.00) aeaozto. 

oMzLEa . o(cccc)oco 

comm . 2- BUTOXYETRANOL 

cAa mam. 

cuemzol. 

chemzo2. 

chemzos. 

MOL FOR. c6u1402 

moL wT . 118.18 

Log oow. 0.57 <Kovmio eotimate> 

melt et. -74.80 ueg C 

Wat aoz. za+noo ms/L (meaoorem) 

Nentral organioa 

Predicted 

meocral ozsaoino . Fiou ys-ur Lcso 1662.199 

meotzaz Organics rioh zu-uay Lcsu 1642.288 

montraz ozgaoioo . oaguniu 48-uz Lcso 758.331 

meotral orsaoioa . uzeeo Azgae oo-uz Ecsn 193.161 

Neotraz ozganios . nioh ao-uar cuV 157.315 

meutzaz ozganice . oanhoiu cuV 70.055 

meotraz orsanioa . creen Azy^e chv 58.122 

meutral ozsauice . Fiah <om> yo-hr Lcso 2576.e27 

meutraz ozsauico . mroiu ourimg ys-ur zcsn «aoo.uoo 

meutraz orsanioa . Fiah (am) Cuv 106.220 

meotral oreaoioa . Mvoiu ouzinm ( om) cuv 609.157 

m=otraz ozgaoioo * . Eazthwocm z«-uar Lcso 289.320 

mote. ^ ~ aotezisk uenignataa. chemioaz may oot ue aoznbze 

eaough to meaonre thinpzedioten ecfect. 

meotrvz oiganico. 

------- ------- 

For Finh ocso (oo-u) 'oaouoiu Losu 'mxoiu. zf tue log nov i.s szeater 

thao 5.0, oz if c»e com000nu io ooliu aou the Loso exceeua the water 

oozuuizitr by zoX ' no rffeoto at eatozatioo aze nzeuicteu. 

Foz rioh ucsu <14-uar> anu Eartuworm ucso. zc tue loy mzn ie oreater 

tuao 6.0, or if the ocmpounu ia onzia aod the Lcso exoeeuo tue wator 

oolobizit' u' zoX' oo ezceoto at oaturatioo ace predicteu. 

aor uzeen Alsae Acute coxioity vazoaa. zc tue zos nnw of the ohemicaz ia 

yreater thao 6.4, or if tue comgoonu io ooziu aou the ocso exoeema tue water 

oozobizity »y zoX, oo effecta at aatozatiou ara preuioteu cor theae nodpointo. 

For uzz cuzooio zoxicity vaznee. zf the log now oc tue chemicaz ia sraater 

tuau 8.0, or ix the oonponnu io aozid aod tue ouV ezceeuo the water oolobility 

~ 
b' zuo ' oo ezzecto at aaturation aze gzeuioteu for these eounointo, 

ncoaAR nz.no uAR Limitationo. 

maximum Losouw. 5.0 (Fioh yo-hr Lcso / oaghniu scso. mraiu Lcso) 

maxinmm Losnov. 6.0 (Fioh 14-oay LCso/ Eartuwozm LCso) 

mazimum cogKow. 6.4 (oreen Algae Ecsn} 

maximnm LosKow. 8.0 (ccm) 

Mazimum moz mt. zoon 

oamayWzm (v.00) Prosram oeaozte. 

000u not . y.rau-ooa atm-ms/mole (9.92m-003 ea-ms/mola) 

amzLno . o(cccc)cco 

comm . o 

MoL FoR. cn oza oc 

MoL wT . 11e.18 - ' - - - - ' - ----- Hoomrmzm rz.co neeolto --------------- 

Experimeotaz oatabaae atructore matou. 

Name . 2- BUTOXYETHANOL 

cAa omm . ouozzz-rn-o 

Exp HuC . z.snm-no atm-mz/moze (u.zao ea'mo/moze) 

zemuez . ns ues c 

Exp oaf . zoaoNanN.0 & osNmazoa ' e (zyoa) 

_____+______________________-+____-+_____ 

czAao I oomo comrazanrzom oEScazuTzmx I cowwEmr I voLno _____+___________________~-__'+____-+_____ 

HoDaoomm 13 ordroseo to cazbon (azipuatio) 000uo -1.5558 

osDaooEm 1 orurosen to ozsgen 000ua 3.2318 

FomGmmNT | 4 c c | | 0'4652 

nuuGMEmr a c-o 3.2564 

----------+--- --- - -- ------------- --- + --------+ -- - -- 

REenLr I acNo EarzsAczmn mmz000 foz zwApc nALnm I TozAL 1 5.398 

-- - - - - - - -+- - --- -- - - - - - - - - - - - - -- -- `- - - - - - + - - - - - - - - - + - - - - - 

oomars zAw coNuzANT at ns ues c ~ y.roE uoo atm-ma/mole 

= 4.00E-006 nuitlaon 

= s.yum-oos na-m3/moze 

____+_______________________-+______+____ 

I Gnooe comrRzonTzom ooScRzvrzum I comMEmT I vALUm 

____+_______________________-+______+____ 

z cHs (o) -o.ox 

c cHc (o) (c) -o.ao 

s cuo (c) (o) -o.ss 

| z o-o (c) | | 4.45 

~ z o (c)(c) o.y» 

____+__________________---____+______+____ 

amaozT I unonp morznmzzmu uar000 zoz LnG :AMaA vALUE I cozAL 1 6.07 

____+_______________________-+__-,___+____ 

HomnYa zAm ccNarAmr at xs ueg c = u.00E-oou atm-ms/mole 

= o.szE-oor ooitleao 

= u.zzE'uoa Pa-ms/moze 

For Henry ac comoari000 evzpoaea. 

Eopez oatabaoe. 1.60E-06 atm-mo/moze (1.62m-001 na-ms/moze) 

no Entezed Henry Lc. z.suou-oos atm-oo/moze (1.621E uoz ea-ma/moze) 

oenzyo Lc [via vx/Waoz eatimace uoiug naer Eotered or motimateuvazueo]. 

HLo. z.sooE-oor atm-ms/mole <z.sorE-000 oa'ms/mole> 

vo. 0.88 mm og (oouroe. Ueez-Entereu) 

wa. zo+oos mg/L (aource. nsez motezeu) 

Loe octanoz-Aiz (xzmWzm "1.10) oeouzto. 

rAl 
Log Koa: 5.014 

SMILES : O(CCCC)CCO 

CHEM : 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

--------------------------- KOAWIN v1.10 Results -------------------------- 

Log Koa (octanol/air) estimate: 5.014 

Koa (octanol/air) estimate: 1.034e+005 

Using: 

Log Kow: 0.83 (user entered) 

HenryLC: 1.6e-006 atm-m3/mole (user entered) 

Log Kaw: -4.184 (air/water part.coef.) 

LogKow : 0.83 (exp database) 

LogKow : 0.57 (KowWin estimate) 

Henry LC: 1.6e-006 atm-m3/mole (exp database) 

Henry LC: 9.79e-008 atm-m3/mole (HenryWin bond estimate) 

Log Koa (octanol/air) estimate: 5.968 (from KowWin/HenryWin) 

BIOWIN (v4.10) Program Results: 

------------------------------ 

------------------------------ 

SMILES : O(CCCC)CCO 

CHEM : 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

--------------------------- BIOWIN v4.10 Results 

Biowinl (Linear Model Prediction) . Biodegrades Fast 

Biowin2 (Non-Linear Model Prediction): Biodegrades Fast 

Biowin3 (Ultimate Biodegradation Timeframe): Days-Weeks 

Biowin4 (Primary Biodegradation Timeframe): Days 

Biowin5 (MITI Linear Model Prediction) . Biodegrades Fast 

Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast 

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast 

Ready Biodegradability Prediction: YES 

------+-----+--------------------------------------------+---------+--------- 

TYPE ( NUM I Biowinl FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+---------------- ---------------------------- + --- r ----- + --------- 

Frag 1 Linear C4 terminal chain [CCC-CH3] ( 0.1084 0.1084 

Frag ( 1( Aliphatic alcohol [-OH] 0.1587 0.1587 

Frag 1 Aliphatic ether [C-O-C] -0.3474 -0.3474 

MolWtl *( Molecular Weight Parameter -0.0563 

Constj *( Equation Constant 0.7475 

RESULT Biowinl (Linear Biodeg Probability) 0.6111 

------+-----+--------------------------------------------+---------+--------- 

TYPE I NUM Biowin2 FRAGMENT DESCRIPTION ( COEFF I VALUE 

------+-----+--------------------------------------------+---------+--------- 

Frag 1 Linear C4 terminal chain [CCC-CH3] 1.8437 1.8437 

Frag 1 Aliphatic alcohol [-OH] ( 1.1178 1.1178 

Frag 1 Aliphatic ether [C-O-C] -3.4294 -3.4294 

Mo1Wt) * I Molecular Weight Parameter -1.6781 

RESULT Biowin2 (Non-Linear Biodeg Probability) 0.7032 

• Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

• Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

------+-----+--------------------------------------------+--------=+--------- 

TYPE I NUM I Biowin3 FRAGMENT DESCRIPTION I COEFF I VALUE 

------+-----+--------------------------------------------+---------+--------- 

Frag 1( Linear C4 terminal chain [CCC-CH3] 0.2983 0.2983 

Frag 1 Aliphatic alcohol [-OH] 0.1600 ( 0.1600 

Frag 1 Aliphatic ether [C-O-C] -0.0087 -0.0087 

MolWtl * I Molecular Weight Parameter -0.2612 

Constj * I Equation Constant 3.1992 
RESULT Biowin3 (Survey Model - Ultimate Biodeg) 3.3877 

- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 

TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION I COEFF I VALUE 

----------------------------------------------------------------------------- 

Frag I Linear C4 terminal chain [CCC-CH3] 0.2691 0.2691 

Frag 1 Aliphatic alcohol [-OH] 0.1294 I 0.1294 

Frag I Aliphatic ether (C-0-C) -0.0097 -0.0097 

molwtl * I Molecular Weight Parameter -0.1705 

Constj * Equation Constant 3.8477 

RESULT Biowin4 (Survey Model - Primary Biodeg) 4.0666 

Result Classification: 5.00 hours 4.00 days 3.00 weeks 

(Primary & Ultimate) 2.00 months 1.00 longer 

----------------------------------------------------------------------------- 

TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION I COEFF I VALUE 

----------------------------------------------------------------------------- 

Frag 1 Aliphatic alcohol [-OH] 0.1611 0.1611 

Frag I Aliphatic ether [C-O-C] 0.0015 0.0015 

Frag I Methyl [-CH3] 0.0004 0.0004 

Frag 5 -CH2- [linear] I 0.0494 0.2471 

molwtl * I Molecular Weight Parameter -0.3516 

Consti * I Equation Constant 0.7121 

RESULT Biowin5 (MITI Linear Biodeg Probability) 0.7707 

----------------------------------------------------------------------------- 

TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION I COEFF I VALUE 

----------------------------------------------------------------------------- 

Frag I Aliphatic alcohol [-OH] 1.0041 1.0041 

Frag 1 Aliphatic ether [C-O-C] -0.1071 -0.1071 

Frag 1 Methyl [-CH3] 0.0194 0.0194 

Frag 5 -CH2- [linear] 0.4295 2.1475 

molwtl * I Molecular Weight Parameter -3.4116 

RESULT IBiowinG (MITI Non-Linear Biodeg Probability)l 1 0.8982 

• Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable 

• Probability Less Than 0.5 indicates --> NOT Readily Degradable 

----------------------------------------------------------------------------- 

TYPE NUM I Biowin7 FRAGMENT DESCRIPTION I COEFF I VALUE 

------------------------------------------------------------------- 

Frag I Linear C4 terminal chain [CCC-CH3] -0.3177 -0.3177 

Frag I Aliphatic alcohol [-OH] 0.1328 0.1328 

Frag 1 Aliphatic ether [C-0-C] -0.2573 -0.2573 

Frag 1 Methyl [-CH3] -0.0796 -0.0796 

Frag 5 -CH2- [linear] 0.0260 0.1299 

Constj Equation Constant 0.8361 

RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 0.4442 

• Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

• Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

Ready Biodegradability Prediction: (YES or NO) 

---------------------------------------------- 

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey 

model) result is "weeks" or faster (i.e. "days", "days to weeks", or 

"weeks" AND the BiowinS (MITI linear model) probability is >= 0.5, then 

the prediction is YES (readily biodegradable). If this condition is not 

satisfied, the prediction is No (not readily biodegradable). This method 

is based on application of Bayesian analysis to ready biodegradation data 

(see Help). Biowin5 and 6 also predict ready biodegradability, but for 

degradation in the OECD301C test only; using data from the Chemicals 

Evaluation and Research Institute Japan (CERIJ) database. 

0 
oioecw±n (v1.01) pzoeram aeeozte. 

omzuuo . o<occc>cco 

coEm . 2-BUTOXYETHANOL 

 ca o14 oz 

moL mT . 118.18 

------ - -------- aioocwio ,1.01 ueanzta ---'- ----------- 

mn motimate 0000ible ... atzuctore moz a oydrocaruoo 

A000Wzm uzoszam (vz.00) aeoulta. 

oorgtion to aeroauzo (os oen c) [AEaowzN r1.00]. 

vapoz oreaoure (ziquiu/auucooleu). 117 ra (n.ao mm og) 

Los Koa (ooaain eot ). 5.014 

oo (partioze/san gartitioo coec. (ma/uo}). 

Mackar modez . u.soE-000 

octanoz/air <ooa> mouel. c.s«m ooa 

nraction oozbem to air»ozoe gazticuzateo (phi). 

oozge eancow mouez . o.ouE-nor 

maokay mouoz . u.osE oos 

ootaooz/aiz <ooa> mouez. n.osE-000 

oO» nrosram (u.ox) Reoozto. 

coEm . 2-BUTOXYETRANOL 

FOR. c6o1402 

MoL Wr . 118.18 

--------------'--- ocMmxnY (AOP vz.yo). oroaoXYn auozcA-LS (cs ues c) '- - -- 

Hydrogen ouotraotiou ~ 23.3734 a-zc omz/molecoze-aeo 

aeaotioo witu N. a aou -oo ~ 0.1400 n-zo cne/mozeooze-aeo 

Auuitioo to crirze oouuo o.000um 12 omz/mozeouze-aec 

Auuitioo to ozefioic aondo ~ 0.0000 E-12 oms/mozeouze'aeo 

uddition to Aromatic aiosa ~ 0.0000 m zo oma/molaooze-oec 

Axuition to mzaeu niosa 0.0000 m-zo oma/mozecole-seo 

ovmaAnn no uats c000taot = 23.5134 E-zz =s/mozeoozo-oeo 

HmLF'za*E ~ 0.455 oara (zo'ur uar/ 1.5m6 oo/cms) 

14oLr-LzaE ~ 5.459 Hzo 

------------- - ooammnr (Aoo v1.e1). oZoNm oEAcTzom <us uee c> ' -- 

°°°°°° mo oxomm aEAcczom EoTzMxrzom °°^°°° 

Eopezimeotaz oatauaoe atzucture matcu. 

chem mame . u-aotuzyethaooz 

cua momber. 000111-76-2 

Ezper oo zate 000etaot . zo`s o-12 cma/moleoule-oeo 

Ezoez oo aefezence. AzozNaom ' a (zooe) 

mzrez 000no rate 000ataot. oms/mozecuzo-oeo 

Espez mos rate cooatant . - cms/mozeouze-oeo 

nraotioo oorueu to airboroe particolateo <pui>. 

1.48E-006 <zunse-uankov ' maokay avg> 

o.u»E ooa <Koa met»ou> 

mvte. the oorueu fraotiou may be reeiataot to atmoepheri, ozivatioo 

noonzm rcogcam (v2.00) aeoozto. 

SmzLEo . o(cccc)ccn 

comm . 2-BLTTOXYETHANOL 

 c6H140e 

MoL nr . 118.18 

-------------- uocwzm vz.00 aeouzta -------------' 

noo matimate xrom woz. ___________ 

VA 
First Order Molecular Connectivity Index ........... 3.914 

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... 2.6403 

Fragment Correction(s): 

I Aliphatic Alcohol (-C-OH) ........... -1.3179 

1 Ether, aliphatic (-C-O-C-) .......... -0.8716 

Correctdd Log Koc .................................. 0.4508 

Estimated Koc; 2.823 L/kg 

Koc Estimate froM Log Kow: 

Log Kow (experimental DB) ......................... 0.83 

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... 1.3842 

Fragment Correction(s): 

1 Aliphatic Alcohol (-C-OH) ........... -0.4114 

1 Ether, aliphatic (_C_O_C_) ........... -0.0906 

Corrected Log Koc .................................. 0.8822 

Estimated Koc: 7.624 L/kg <=========== 

HYDROWIN Program (v2.00) Results: 

SMILES O(CCCC)CCO 

CHEM 2-BUTOXYETHANOL 

MOL FOR:.C6 H14 02 

MOL WT : 118.18 

--------------------------- HYDROWIN v2.00 Results ---------------------------- 

Currently, this program can NOT estimate a hydrolysis rate constant for 

the type of chemical structure entered!! 

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), 

Specific Alkyl Halides & Phosphorus Esters can be estimatedl! 

When present, various hydrolyzable compound-types will be identified. 

For more information, (Click OVERVIEW in Help or see the User's Guide) 

***** CALCULATION NOT PERFORMED ***** 

BCFBAF Program (v3.00) Results: 

SMILES : O(CCCC)CCO 

CHEM : 2-BUTOXYETHANOL 

MOL FOR: C6 H14 02 

MOL WT : 118.18 

---- ---------------------------- BCFBAF v3.00 -------------------------------- 

Summary Results: 

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt) 

Biotransformation Half-Life (days) : 0.0537 (normalized to 10 g fish) 

Log BAF (Arnot-Gobas upper trophic): 0.14 (BAP = 1.38 L/kg wet-wt) 

Log Kow (experimental): 0.83 

Log Kow used by BCF estimates: 0.83 (user entered) 

Equation Used to Make BCF estimate: 

Log BCF = 0.50 

Correction(s): Value 

Correction Factors Not Used for Log Kow < 1 

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt) 

Whole Body Primary Biotransformation Rate Estimate for Fish: 

------------- 

----------------------------------------------------------------------------- 

TYPE I kW I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I COEFF I VALUE 

----------------------------------------------------------------------------- 

Frag 1 Linear C4 terminal chain [CCC-CH3] 0.0341 0.0341 

Frag 1 Aliphatic alcohol [-OH] -0.0616 -0.0616 

n. 
Frag 1 Aliphatic ether [C-0-C] -0.0232 -0.0232 

Frag 1 Methyl [-CH3] 0.2451 0.2451 

Frag 5 -CH2- [linear] 0.0242 0.1209 

L Kowl * I Log KOW = 0.83 (user-entered 0.3073 0.2551 

molwtl * I Molecular Weight Parameter -0.3030 

Constj * I Equation Constant -1.505B 

RESULT LOG Bio Half-Life (days) -1.2697 

RESULT Bio Half-Life (days) 0.05375' 

NOTE Bio Half-Life Normalized to 10 g fish aL ib deg C 

Biotransformation Rate Constant: 

kM (Rate Constant): 12.9 /day (10 gram fish) 

kM (Rate Constant): 7.252 /day (100 gram fish) 

kM (Rate Constant): 4.078 /day (I kg fish) 

kM (Rate Constant): 2.293 /day (10 kg fish) 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates): 

Estimated Log BCF (upper trophic) = 0.139 (BCF = 1.376 L/kg wet-wt) 

Estimated Log BAF (upper trophic) = 0.139 l(BAF = 1.376 L/kg wet-wt) 

Estimated Log BCF (mid trophic) = 0.116 (BCF = 1.308 L/kg wet-wt) 

Estimated Log BAF (mid trophic) = 0.116 (BAF = 1.308 L/kg wet-wt) 

Estimated Log BCF (lower trophic) = 0.108 (BCF = 1.282 L/kg wet-wt) 

Estimated Log BAF (lower trophic) = 0.108 (BAF = 1.282 L/kg wet-wt) 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero): 

Estimated Log BCF (upper trophic) = 0.208 (BCF = 1.616 L/kg wet-wt) 

Estimated Log BAF (upper trophic) = 0.211 (BAF = 1.626 L/kg wet-wt). 

Volatilization From Water 

Chemical Name: 2-BUTOXYETHANOL 

Molecular Weight 118.18 g/mole 

Water Solubility 1E+006 ppm 

Vapor Pressure 0.88 mm Hg 

Henry's Law Constant: 1.6E-006 atm-m3/mole (entered by user) 

RIVER LAKE 

--------- --------- 

Water Depth Ameters): 1 1 

Wind Velocity (m/sec): 5 0.5 

Current Velocity (m/sec): 1 0.05 

HALF-LIFE (hours) 398.9 4443 

HALF-LIFE (days ) 16.62 185.1 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

(using 10000 hr Bio P,A,S) 

PROPERTIES OF: 2-BUTOXYETHANOL 

Molecular weight (g/mol) 118.18 

Aqueous solubility (mg/1) 1E+006 

Vapour pressure (Pa) 117.324 

(atm) 0.00115789 

(mm Hg) 0.88 

Henry Is law constant (Atm-m3/mol) 1.6E-006 

Air-water partition coefficient 6.54352E-005 

Octanol-water partition coefficient (Kow) 6.76083 

Log Kow 0.83 

Biomass to water partition coefficient 2.15217 

Temperature [deg C] 25 

Biodeg rate constants (h'-1),half life in biomass (h) and in 2000 mg/L MLSS (h): 

-Primary tank 0.02 42.86 10000.00 

-Aeration tank 0.02 42.86 10000.00 

-Settling tank 0.02 42.86 10000.00 

STP Overall Chemical Mass Balance: 

J 
_________________ 

g/h mol/u 

znfzoeut 1.uoE+001 o.so-uou 

nzimarr ozudge 2.66m-002 o.nm-uo« 

waote azooge 1.51m-001 z.sE-uos 

nzimazr volatizioation a.aaE-oou r.sE ooa 

eettlioe mzzatizixatioo u.oam oos o.om oos 

Aeratimz ozc gaa s.usm-ous s.oE oos 

nrimarr biodeerauatioo z.rsE-oos z.sE oos 

oettzins uiodegzauatioo s.orE oou u.sm-oue 

Aeratino bioueszauatiuu s.00E-oou s.om-oos 

nioal nater efzzoeot o.00m+000 o.sm-000 

rotaz removaz z.yeu-ooz z.rm-ooz 

zotaz biouesrauatiou s.usm-ooa r.om-oos 

perceu 

100.00 

0.27 

1.51 

0.01 

0.02 

0.06 

0.02 

0.01 

0.07 

98.04 

1.96 

0.09 

Lenez zzz mosaoitr souez (Fozl-oatput). 

chem Name . 2-BUTOXYETHANOL 

 nt. 118.18 

Henry'o LC . z.se-ous atm-m3/mole (user-entered) 

Vapor aa . 0.88 mm Hg (naez-entereu) 

Los uow . 0.83 (uoer-=ntereu) 

ooiz Koc . 7.62 (oocmzm ovm metuod) 

maao umouot oalf-Life Emiaeiona 

<peroeot> (hz) (ks/hr) 

Aiz 20.3 9.2 ouo 

watez 1 32.8 zuo oo 

ooiz *o.o 240 vo 

oeuimeot 0.0602 z.one+uos o 

aueaoitr aeactioo uuvectiou oeaotiou 

(atm) (»s/hz) (ks/ur) (oeroent) 

Aiz 2.2e-011 000 z.uoe-ozs 82.5 

natar z.zoe-ozo ys.s 1.72e-016 10.2 

ooiz s.oze'uzz 70.7 n 7.29 

aedimeot y.oue-uzs 0.0202 3.15e-019 0.00209 

Peroioteooe Time. s« hz 

aeaotiou Time. su hz 

Auveotiou Time. z.00e+000 hr 

neroeot aeaoteu. zoo 

eeroeot Auvecteu. u.ore ozr 

oazx-Livea (hr)' (baaeu upoo oaer-entzy) . 

Aiz. 9.2 

mater. zoo 

aoiz. nuo 

oeuimeot. zono 

Aunection Timeo (ur). 

Aiz. ze+oxo 

nater. ze+000 

eedimeot. le+nou 

Advection 

(pezceot) 

z.00e-uzr 

z.ne-ozr 

o 

s.ose-000 

lut